SCHEMBL10509246

SCHEMBL10509246

COc1cccc(CN2CNc3c2nc(N)[nH]c3=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ HPRT1 P00492 4/20 0.45
▸ CMA1 P23946 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ DAO P14920 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10508847 0.87 TYMS (0.51) HPRT1CMA1XDHTYMS
SCHEMBL10506935 0.84 MAPT (0.50) HPRT1XDHKMT2AMEN1DAO
SCHEMBL10506917 0.81 HPRT1 (0.47) HPRT1XDHMAPTTYMS
SCHEMBL9798195 0.79 HPRT1 (0.47) HPRT1PKMALDH1A1MAPK1SIRT2
SCHEMBL10506884 0.78 HPRT1 (0.48) HPRT1XDHALDH1A1KDM4ESMN1; SMN2
SCHEMBL10507629 0.78 PNP (0.50) HPRT1KMT2AMEN1ALDH1A1DAO
SCHEMBL10506525 0.78 MTNR1A (0.47) MTNR1AMTNR1BCMA1XDHKMT2A
SCHEMBL10507502 0.78 TYMS (0.51) HPRT1XDHKMT2ADAOTYMS
SCHEMBL9663161 0.77 HPRT1 (0.41) HPRT1XDHKMT2AMEN1KDM4E
SCHEMBL10507190 0.77 HPRT1 (0.47) MTNR1AMTNR1BHPRT1CMA1XDH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4874862-A Process for preparing guanine derivatives WARNER-LAMBERT COMPANY (US) 1989-10-17 — — US disclosed
EP-0156559-B1 8-SUBSTITUTED GUANINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1989-08-02 — — EP disclosed
US-4748177-A Guanine derivatives WARNER-LAMBERT COMPANY (US) 1988-05-31 — — US disclosed
EP-0156559-A2 8-Substituted guanine derivatives WARNER-LAMBERT COMPANY (US) 1985-10-02 — — EP disclosed
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